UCSF

ZINC20765626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 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) 5.10 9.11 -15.81 2 5 0 75 493.467 7
Hi High (pH 8-9.5) 5.29 5.98 -35.04 1 5 -1 81 492.459 7

Activity (Go SEA)

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