UCSF

ZINC44869571

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) -0.01 -0.37 -12.13 3 6 0 82 242.323 3
Mid Mid (pH 6-8) -0.01 1.77 -49.68 4 6 1 83 243.331 3

Activity (Go SEA)

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