UCSF

ZINC36733674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 0.24 1.06 -10.82 3 7 0 104 261.285 2
Mid Mid (pH 6-8) 0.70 -1.41 -53.99 2 7 -1 107 260.277 2

Activity (Go SEA)

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