UCSF

ZINC36673170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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 5.1 -37.75 2 2 1 26 257.151 1
Hi High (pH 8-9.5) 2.30 3.76 -3.16 1 2 0 21 256.143 1

Activity (Go SEA)

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