UCSF

ZINC09192359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 32 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) 4.89 2.94 -14.51 0 6 0 72 426.472 3
Lo Low (pH 4.5-6) 4.89 3.1 -31.99 1 6 1 73 427.48 3

Activity (Go SEA)

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