UCSF

ZINC37857401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 33 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) 3.14 7.94 -17.28 0 8 0 84 449.459 6
Mid Mid (pH 6-8) 3.14 10.81 -61.68 1 8 1 85 450.467 6

Activity (Go SEA)

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