UCSF

ZINC30610296

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 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) 4.16 7.41 -29.11 3 5 0 85 406.294 5
Hi High (pH 8-9.5) 4.23 6.49 -59.13 2 5 -1 91 405.286 5

Activity (Go SEA)

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