UCSF

ZINC36105636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.23 -0.95 -10.13 2 6 0 71 255.318 6
Mid Mid (pH 6-8) -0.23 1.31 -46.22 3 6 1 72 256.326 6

Activity (Go SEA)

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