UCSF

ZINC36226354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 11 Yes

CAS Number: 1215946-13-6

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) 1.14 2.64 -24.73 4 3 1 52 152.221 2
Mid Mid (pH 6-8) 1.14 2.28 -5.31 3 3 0 51 151.213 2

Activity (Go SEA)

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