UCSF

ZINC62285359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 27 Yes

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) 2.14 9.02 -50.21 2 6 1 63 368.457 6
Mid Mid (pH 6-8) 2.14 6.68 -12.81 1 6 0 62 367.449 6

Activity (Go SEA)

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