UCSF

ZINC36136340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) -0.52 4.01 -46.69 3 5 1 68 256.37 4
Mid Mid (pH 6-8) -0.52 3.73 -15.42 2 5 0 67 255.362 4

Activity (Go SEA)

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