UCSF

ZINC14628447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 12 Yes

CAS Number: 19655-60-8

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) 2.83 6.29 -5.93 0 1 0 13 157.216 1
Lo Low (pH 4.5-6) 2.83 6.58 -29.45 1 1 1 14 158.224 1

Activity (Go SEA)

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