UCSF

ZINC03043020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 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) 1.99 5.79 -11.15 0 3 0 27 190.246 2
Mid Mid (pH 6-8) 1.99 6.23 -27.49 1 3 1 28 191.254 2

Activity (Go SEA)

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