UCSF

ZINC60255948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 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) 0.95 4 -140.72 2 8 -2 147 440.429 4
Mid Mid (pH 6-8) 0.95 2.84 -49.07 3 8 -1 144 441.437 4

Activity (Go SEA)

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