UCSF

ZINC36226405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 Yes

CAS Number: 1216103-43-3

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) 1.13 3.58 -25.06 4 3 1 52 164.232 2
Mid Mid (pH 6-8) 1.13 3.23 -4.84 3 3 0 51 163.224 2

Activity (Go SEA)

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