UCSF

ZINC05972968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 22 Yes

CAS Number: 7019-85-4

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) 7.38 14.24 -45.58 0 2 -1 40 305.482 15
Lo Low (pH 4.5-6) 7.38 13.12 -7.3 1 2 0 37 306.49 15

Activity (Go SEA)

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