UCSF

ZINC36897313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 1.95 5.28 -54.78 2 5 1 61 317.159 6
Hi High (pH 8-9.5) 1.95 3.92 -8.4 1 5 0 57 316.151 6

Activity (Go SEA)

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