UCSF

ZINC61820121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.59 3.31 -98.94 4 5 2 71 254.378 3
Hi High (pH 8-9.5) 1.59 3.07 -39.61 3 5 1 69 253.37 3

Activity (Go SEA)

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