UCSF

ZINC11996199

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 35 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) 4.32 13.9 -109.74 4 5 2 57 474.693 7
Hi High (pH 8-9.5) 4.32 10.44 -8.47 2 5 0 52 472.677 7
Mid Mid (pH 6-8) 4.32 14.28 -195.81 5 5 3 59 475.701 7

Activity (Go SEA)

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