UCSF

ZINC43501401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 Yes

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) 0.28 2.76 -42 2 3 1 33 206.313 3
Mid Mid (pH 6-8) 0.28 5.27 -118.03 3 3 2 34 207.321 3
Mid Mid (pH 6-8) 0.28 3.93 -38.13 2 3 1 29 206.313 3

Activity (Go SEA)

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