UCSF

ZINC37080946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.18 5.9 -33.82 3 2 1 30 191.298 4
Mid Mid (pH 6-8) -0.18 6.23 -121.75 4 2 2 32 192.306 4

Activity (Go SEA)

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