UCSF

ZINC36863890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.24 2.71 -52.59 0 7 -1 86 300.36 4
Mid Mid (pH 6-8) 0.24 5.06 -74.15 1 7 0 87 301.368 4

Activity (Go SEA)

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