UCSF

ZINC36770270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.25 3.91 -5.57 0 4 0 39 215.293 6
Mid Mid (pH 6-8) 1.25 6.19 -40.41 1 4 1 40 216.301 6

Activity (Go SEA)

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