UCSF

ZINC37997914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 0.95 3.85 -39.7 2 5 1 54 268.333 6
Hi High (pH 8-9.5) 0.95 2.45 -7.61 1 5 0 49 267.325 6

Activity (Go SEA)

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