UCSF

ZINC01350704

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 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) 3.04 9.93 -15.47 1 5 0 58 336.439 4
Mid Mid (pH 6-8) 3.04 10.25 -34.92 2 5 1 59 337.447 4

Activity (Go SEA)

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