UCSF

ZINC34560077

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 1.15 8.4 -35.65 2 4 0 65 313.397 8
Hi High (pH 8-9.5) 1.15 7.37 -48.49 1 4 -1 64 312.389 8

Activity (Go SEA)

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