UCSF

ZINC10188188

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 32 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) 5.13 0.7 -11.58 1 5 0 63 445.95 7
Lo Low (pH 4.5-6) 5.13 0.9 -51.94 2 5 1 65 446.958 7

Activity (Go SEA)

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