UCSF

ZINC15937433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 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) 2.54 6.9 -7.12 1 7 0 66 386.496 7
Mid Mid (pH 6-8) 2.54 7.88 -35.81 2 7 1 68 387.504 7
Lo Low (pH 4.5-6) 2.54 9.17 -39.74 2 7 1 68 387.504 7

Activity (Go SEA)

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