UCSF

ZINC19938830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 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) 3.95 9.72 -58.35 0 7 -1 82 495.571 10
Mid Mid (pH 6-8) 3.95 12.05 -75.31 1 7 0 83 496.579 10

Activity (Go SEA)

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