UCSF

ZINC35150061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 4.15 10.02 -36.1 2 2 1 26 282.407 5
Hi High (pH 8-9.5) 4.15 8.9 -4.25 1 2 0 21 281.399 5

Activity (Go SEA)

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