UCSF

ZINC22748723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 37 No

Popular Name: (3S,12R)-3-(3,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3S,12R)-3-(3,4-dimethoxyphenyl)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.12 15.6 -52.33 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 4.15 9.31 -11.08 2 5 0 63 365.408 6 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.