UCSF

ZINC38000749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) -0.22 -0.57 -40.86 5 6 1 89 268.337 7
Hi High (pH 8-9.5) -0.22 -3.03 -10.57 4 6 0 88 267.329 7

Activity (Go SEA)

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