UCSF

ZINC02548218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

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) 1.62 5.82 -39.03 1 3 1 31 172.248 3
Mid Mid (pH 6-8) 1.62 3.81 -4.71 0 3 0 30 171.24 3

Activity (Go SEA)

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