UCSF

ZINC42562412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) -0.24 2.69 -49.53 2 6 -1 98 253.278 4
Lo Low (pH 4.5-6) -0.24 0.97 -11.14 3 6 0 95 254.286 4

Activity (Go SEA)

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