UCSF

ZINC19744496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 25 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) 1.78 6.07 -35.21 3 5 1 55 346.495 7
Hi High (pH 8-9.5) 1.78 5.18 -58.26 3 5 1 58 346.495 7

Activity (Go SEA)

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