UCSF

ZINC02202581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 22 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) 3.93 8.79 -13.17 2 3 0 45 292.382 4
Mid Mid (pH 6-8) 4.00 6.15 -7.88 2 3 0 48 292.382 4

Activity (Go SEA)

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