UCSF

ZINC34527072

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.77 4.65 -45.36 3 5 1 68 301.366 4
Mid Mid (pH 6-8) 1.77 3.56 -8.93 2 5 0 64 300.358 4
Lo Low (pH 4.5-6) 1.77 5.1 -112.75 4 5 2 69 302.374 4

Activity (Go SEA)

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