UCSF

ZINC36870960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.64 3.18 -54.26 4 4 1 80 199.237 2
Hi High (pH 8-9.5) 0.64 2.83 -9.78 3 4 0 78 198.229 2

Activity (Go SEA)

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