UCSF

ZINC45872680

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 26 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) 4.68 7.33 -20.29 2 6 0 81 368.414 4
Hi High (pH 8-9.5) 4.68 8.34 -66.26 1 6 -1 84 367.406 4

Activity (Go SEA)

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