UCSF

ZINC36828792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 2.28 2.76 -44.46 1 6 -1 94 320.375 3
Mid Mid (pH 6-8) 2.28 3.14 -16.58 2 6 0 92 321.383 3
Lo Low (pH 4.5-6) 2.28 3 -40.45 3 6 1 93 322.391 3

Activity (Go SEA)

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