UCSF

ZINC31738347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 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) 3.19 11.05 -15.46 1 6 0 75 329.363 2
Mid Mid (pH 6-8) 3.09 11.18 -59.34 0 6 -1 79 328.355 3

Activity (Go SEA)

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