UCSF

ZINC02235528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 25 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) 4.39 12.36 -15.04 0 5 0 52 373.243 3
Mid Mid (pH 6-8) 4.39 13.35 -49.57 2 5 1 56 374.251 3

Activity (Go SEA)

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