UCSF

ZINC58281712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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) 0.70 3.75 -19.11 1 6 0 73 301.346 8
Lo Low (pH 4.5-6) 0.70 4.22 -46.77 2 6 1 75 302.354 8

Activity (Go SEA)

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