UCSF

ZINC19901081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.04 6.94 -51.92 2 4 1 46 293.431 9
Hi High (pH 8-9.5) 3.04 5.75 -5.16 1 4 0 42 292.423 9
Mid Mid (pH 6-8) 3.04 7.6 -37.94 2 4 1 43 293.431 9
Mid Mid (pH 6-8) 3.04 9.15 -127.04 3 4 2 47 294.439 9

Activity (Go SEA)

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