UCSF

ZINC44844885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 0.09 3.1 -14.59 2 4 0 50 255.387 4
Mid Mid (pH 6-8) 0.09 5.3 -46.01 3 4 1 51 256.395 4

Activity (Go SEA)

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