UCSF

ZINC00377147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 25 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) 1.86 2.33 -11.42 3 6 0 121 331.379 1
Mid Mid (pH 6-8) 1.95 0.52 -105.96 4 6 2 121 333.395 1
Lo Low (pH 4.5-6) 1.86 2.13 -44.87 4 6 1 122 332.387 1

Activity (Go SEA)

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