UCSF

ZINC36673117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) 3.04 4.98 -31.99 2 2 1 26 186.319 3
Hi High (pH 8-9.5) 3.04 3.95 -1.56 1 2 0 21 185.311 3

Activity (Go SEA)

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