UCSF

ZINC00522706

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.45 9 -17.06 0 7 0 74 349.394 5
Mid Mid (pH 6-8) 3.45 10 -33.49 2 7 1 79 350.402 5

Activity (Go SEA)

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