UCSF

ZINC60697665

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 2.90 5.95 -40.43 2 3 1 35 256.341 8
Hi High (pH 8-9.5) 2.90 4.95 -5.12 1 3 0 30 255.333 8

Activity (Go SEA)

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