UCSF

ZINC39870102

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.93 11.74 -20.53 1 6 0 88 381.457 7
Mid Mid (pH 6-8) 5.93 11.25 -47.6 0 6 -1 90 380.449 7

Activity (Go SEA)

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