UCSF

ZINC13232672

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 3.07 7.09 -6.24 0 1 0 13 171.243 2
Lo Low (pH 4.5-6) 3.07 7.34 -25.7 1 1 1 14 172.251 2

Activity (Go SEA)

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