UCSF

ZINC30691524

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 25 Yes

CAS Number: 23271-74-1

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) 2.37 7.12 -6.51 0 5 0 48 347.455 7
Mid Mid (pH 6-8) 2.37 9.45 -42.93 1 5 1 49 348.463 7

Activity (Go SEA)

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