UCSF

ZINC30611210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 28 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) 3.06 10.01 -50.58 2 6 1 68 385.532 5
Hi High (pH 8-9.5) 3.06 8.03 -13.01 1 6 0 67 384.524 5

Activity (Go SEA)

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