UCSF

ZINC37997472

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) 2.70 7.06 -109.46 4 3 2 41 264.413 6
Hi High (pH 8-9.5) 2.70 5.13 -44.5 3 3 1 40 263.405 6

Activity (Go SEA)

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