UCSF

ZINC61159578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 15 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) 1.88 6.96 -37.36 1 3 1 21 226.369 2
Mid Mid (pH 6-8) 1.88 4.82 -4.89 0 3 0 19 225.361 2
Lo Low (pH 4.5-6) 1.88 7.36 -84.63 2 3 2 22 227.377 2

Activity (Go SEA)

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