UCSF

ZINC28473960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 34 Yes

CAS Number: 192185-71-0

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) 5.09 13.71 -13.29 2 5 0 66 489.406 4
Mid Mid (pH 6-8) 5.09 14.17 -48.35 3 5 1 67 490.414 4
Lo Low (pH 4.5-6) 5.09 14.36 -136.56 4 5 2 69 491.422 4

Activity (Go SEA)

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