UCSF

ZINC04029547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 17 No

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) 1.63 3.11 -8.55 2 4 0 58 230.267 1
Hi High (pH 8-9.5) 1.81 1.12 -42.16 1 4 -1 65 229.259 1

Activity (Go SEA)

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