UCSF

ZINC01358489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 1.31 5.13 -14.95 2 5 0 71 245.282 4
Lo Low (pH 4.5-6) 1.31 4.93 -29.99 3 5 1 72 246.29 4

Activity (Go SEA)

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