UCSF

ZINC09210395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 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) 6.04 2.64 -14.6 0 6 0 72 454.526 7
Lo Low (pH 4.5-6) 6.04 2.79 -32.18 1 6 1 73 455.534 7

Activity (Go SEA)

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