UCSF

ZINC23379477

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 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) 1.86 7.99 -61.09 0 5 -1 64 327.404 4
Lo Low (pH 4.5-6) 1.86 9.19 -46.7 2 5 1 62 329.42 4

Activity (Go SEA)

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