UCSF

ZINC34538029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 2.13 10.59 -61.19 2 6 1 68 374.436 5
Hi High (pH 8-9.5) 2.13 9.29 -12.75 1 6 0 64 373.428 5

Activity (Go SEA)

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