UCSF

ZINC37084001

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) 1.98 5.61 -25.9 3 3 1 43 192.286 2
Mid Mid (pH 6-8) 1.98 5.16 -4.81 2 3 0 42 191.278 2

Activity (Go SEA)

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