UCSF

ZINC35384997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.10 3.94 -42.97 2 6 0 96 251.217 5
Hi High (pH 8-9.5) 0.10 2.59 -45.15 1 6 -1 91 250.209 5

Activity (Go SEA)

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