UCSF

ZINC37338445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.24 3.48 -29.39 0 7 -1 89 266.277 5
Mid Mid (pH 6-8) 1.24 3.93 -15.67 1 7 0 91 267.285 5
Lo Low (pH 4.5-6) 1.24 6.13 -56.23 2 7 1 92 268.293 5

Activity (Go SEA)

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