UCSF

ZINC04314426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 25 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) 1.61 12.07 -18.2 0 9 0 93 347.375 5
Mid Mid (pH 6-8) 1.61 12.55 -37.93 1 9 1 94 348.383 5

Activity (Go SEA)

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