UCSF

ZINC38138016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 30 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) -0.52 9.31 -122.19 4 10 -2 177 429.458 10
Lo Low (pH 4.5-6) -0.52 7.34 -64.97 5 10 -1 174 430.466 10

Activity (Go SEA)

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