UCSF

ZINC41391993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 8 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) 1.46 5.55 -27.18 1 1 1 4 114.212 3

Activity (Go SEA)

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