UCSF

ZINC44965586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 Yes

Other Names:

MFCD16777992

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) 0.85 6.67 -46.58 3 4 1 48 219.312 4
Mid Mid (pH 6-8) 0.85 7.15 -89.26 4 4 2 50 220.32 4

Activity (Go SEA)

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