UCSF

ZINC02392303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 23 Yes

CAS Number: 126829-54-7

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) 3.62 10.36 -46.13 3 3 1 54 306.385 6
Mid Mid (pH 6-8) 3.62 10.03 -7.06 2 3 0 52 305.377 6

Activity (Go SEA)

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