UCSF

ZINC31535622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 Yes

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) 3.80 7.49 -9.68 0 6 0 62 432.858 4
Mid Mid (pH 6-8) 3.80 9.69 -53.02 1 6 1 64 433.866 4

Activity (Go SEA)

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