UCSF

ZINC20081893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 3.03 7.99 -131.98 4 2 2 32 268.832 3
Hi High (pH 8-9.5) 3.03 7.86 -31.85 3 2 1 30 267.824 3
Hi High (pH 8-9.5) 3.03 6.54 -51.8 3 2 1 31 267.824 3

Activity (Go SEA)

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