UCSF

ZINC40150610

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 22 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) 3.25 8.18 -21.62 1 5 0 58 322.409 4
Hi High (pH 8-9.5) 2.88 6.88 -58.87 0 5 -1 64 321.401 5

Activity (Go SEA)

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