UCSF

ZINC34949302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.62 13.03 -39.12 3 4 1 58 368.526 5
Hi High (pH 8-9.5) 4.62 13.06 -5.8 2 4 0 56 367.518 5

Activity (Go SEA)

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