UCSF

ZINC38665412

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 Yes

CAS Number: 160470-73-5

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) -1.45 2.76 -68.24 7 10 1 161 460.555 8
Hi High (pH 8-9.5) -1.45 3.43 -82.09 6 10 0 164 459.547 8
Mid Mid (pH 6-8) -1.45 2.21 -31.06 6 10 0 159 459.547 8

Activity (Go SEA)

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