UCSF

ZINC37285937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.85 4.68 -9.41 0 6 0 69 267.26 2
Mid Mid (pH 6-8) 0.85 7.03 -46.87 1 6 1 71 268.268 2

Activity (Go SEA)

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