UCSF

ZINC22011912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

CAS Number: 106961-33-5

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) 3.87 11.88 -43.08 1 3 1 22 280.395 3
Mid Mid (pH 6-8) 3.87 10.4 -9.77 0 3 0 21 279.387 3
Mid Mid (pH 6-8) 3.87 12.3 -88.19 2 3 2 23 281.403 3

Activity (Go SEA)

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