UCSF

ZINC41675704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 1.05 4.93 -32.76 2 3 0 57 185.248 3
Hi High (pH 8-9.5) 1.05 3.65 -45.18 1 3 -1 52 184.24 3

Activity (Go SEA)

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