UCSF

ZINC66212447

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 14 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) 2.30 5.43 -35.59 2 3 1 34 199.318 5
Hi High (pH 8-9.5) 2.30 3.28 -7.21 1 3 0 32 198.31 5

Activity (Go SEA)

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