UCSF

ZINC02044400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 18 Yes

CAS Number: 4254-17-5

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) 2.33 0.03 -8.64 1 3 0 46 242.274 4

Activity (Go SEA)

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