UCSF

ZINC36644133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 1.62 6.55 -12.62 3 5 0 73 250.327 3
Mid Mid (pH 6-8) 1.62 6.37 -57.88 4 5 1 75 251.335 3

Activity (Go SEA)

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