UCSF

ZINC64621289

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2011 16 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) 1.79 4.14 -11.01 1 2 0 25 240.278 4
Lo Low (pH 4.5-6) 1.79 5.54 -45.84 2 2 1 29 241.286 4

Activity (Go SEA)

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