UCSF

ZINC02721362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 26 Yes

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 11.58 -9.42 1 4 0 47 349.478 7
Mid Mid (pH 6-8) 1.71 0.32 -32.14 2 4 1 48 350.486 7
Mid Mid (pH 6-8) 5.19 9.43 -22.85 2 4 1 52 350.486 7
Mid Mid (pH 6-8) 5.12 12.14 -31.58 2 4 1 48 350.486 7

Activity (Go SEA)

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