UCSF

ZINC20348958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 Yes

CAS Number: 937603-16-2

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) 1.92 4.5 -6.17 0 3 0 30 221.247 5
Mid Mid (pH 6-8) 1.92 6.85 -42.17 1 3 1 31 222.255 5

Activity (Go SEA)

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