UCSF

ZINC06316040

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 25 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) 2.23 -2.25 -14.32 1 7 0 90 365.407 7
Hi High (pH 8-9.5) 2.23 -1.67 -42.53 0 7 -1 93 364.399 7

Activity (Go SEA)

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