UCSF

ZINC42188549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 2.61 7.1 -49.31 3 3 1 45 268.315 3
Hi High (pH 8-9.5) 2.61 6.79 -5.81 2 3 0 44 267.307 3

Activity (Go SEA)

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