UCSF

ZINC31483729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 34 No

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) 4.11 12.68 -43.2 0 6 -1 70 472.59 7
Mid Mid (pH 6-8) 3.65 13.99 -15.49 1 6 0 67 473.598 7

Activity (Go SEA)

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