UCSF

ZINC02601748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 4.51 0.27 -7.93 1 4 0 46 301.434 6
Mid Mid (pH 6-8) 1.10 0.49 -30.15 2 4 1 48 302.442 6

Activity (Go SEA)

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