UCSF

ZINC38609842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.93 7.12 -24.8 4 8 0 122 454.486 7
Mid Mid (pH 6-8) 2.93 7.87 -64.23 3 8 -1 124 453.478 7

Activity (Go SEA)

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