UCSF

ZINC36615517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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 6.47 -56.63 0 7 -1 82 341.391 4
Mid Mid (pH 6-8) 1.25 8.7 -67.08 1 7 0 83 342.399 4

Activity (Go SEA)

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