UCSF

ZINC41628711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.49 4.64 -9.53 3 4 0 68 273.361 1
Mid Mid (pH 6-8) 2.49 4.7 -37.58 2 4 -1 66 272.353 1
Lo Low (pH 4.5-6) 2.49 5.04 -36.17 4 4 1 69 274.369 1

Activity (Go SEA)

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