UCSF

ZINC11914976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 4.01 8.68 -11.81 2 7 0 91 452.514 7
Lo Low (pH 4.5-6) 4.01 -1.99 -41.9 3 7 1 93 453.522 7

Activity (Go SEA)

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