UCSF

ZINC19997525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 1.40 2.99 -53.39 3 7 1 109 320.778 4
Mid Mid (pH 6-8) 1.40 2.62 -51.6 2 7 0 111 319.77 4

Activity (Go SEA)

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