UCSF

ZINC44686139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.80 7.04 -34.26 2 4 1 49 272.372 6
Hi High (pH 8-9.5) 1.80 4.71 -8.04 1 4 0 48 271.364 6
Lo Low (pH 4.5-6) 1.81 5.93 -41.98 2 4 1 53 272.372 6

Activity (Go SEA)

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