UCSF

ZINC36776609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.76 6.25 -10.75 1 4 0 49 279.343 4
Mid Mid (pH 6-8) 1.76 6.69 -27.38 2 4 1 50 280.351 4
Lo Low (pH 4.5-6) 1.76 7.15 -80.46 3 4 2 52 281.359 4

Activity (Go SEA)

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