UCSF

ZINC15883330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 34 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) 3.02 11.95 -13.27 0 6 0 58 456.521 5
Lo Low (pH 4.5-6) 3.02 14.4 -96.8 2 6 2 61 458.537 5

Activity (Go SEA)

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