UCSF

ZINC13542451

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 13 Yes

CAS Number: 2599-11-3

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) 0.90 3.7 -42.94 4 6 1 84 184.223 4
Hi High (pH 8-9.5) 0.90 3.36 -16.53 3 6 0 83 183.215 4

Activity (Go SEA)

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