UCSF

ZINC36793422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.75 0.52 -64.09 1 5 -1 76 291.249 5
Lo Low (pH 4.5-6) 0.29 1.21 -10.49 2 5 0 73 292.257 5

Activity (Go SEA)

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