UCSF

ZINC34211872

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 13 Yes

CAS Number: 17193-30-5

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) 1.18 2 -40.18 4 3 1 60 179.243 4
Mid Mid (pH 6-8) 1.18 0.65 -8.67 3 3 0 55 178.235 4

Activity (Go SEA)

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