UCSF

ZINC26994089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 29 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) 7.24 17.04 -35.4 1 1 1 4 382.571 5
Hi High (pH 8-9.5) 7.24 16.43 -3.23 0 1 0 3 381.563 5

Activity (Go SEA)

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