UCSF

ZINC15071180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 27 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) 2.73 6.38 -38.15 2 6 1 57 391.561 5
Hi High (pH 8-9.5) 2.73 4.95 -11.14 1 6 0 56 390.553 5

Activity (Go SEA)

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