UCSF

ZINC32180095

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 3.60 6.04 -48.5 3 2 1 37 299.232 4
Hi High (pH 8-9.5) 3.60 4.77 -4.96 2 2 0 32 298.224 4

Activity (Go SEA)

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