UCSF

ZINC36968724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) -0.59 -1.19 -50.12 2 7 -1 119 265.292 5
Mid Mid (pH 6-8) -0.13 -3.48 -96.05 1 7 -2 122 264.284 5

Activity (Go SEA)

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