UCSF

ZINC38654185

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 Yes

CAS Number: 19396-06-6

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) -5.59 -15.6 -79.56 12 18 0 314 507.409 11
Hi High (pH 8-9.5) -5.59 -15.21 -64.04 11 18 -1 313 506.401 11

Activity (Go SEA)

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