UCSF

ZINC34933759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.92 1.37 -51.95 2 6 0 96 266.297 3
Mid Mid (pH 6-8) -3.92 2.16 -59.46 1 6 -1 99 265.289 3
Lo Low (pH 4.5-6) -3.92 2.23 -77.95 3 6 1 98 267.305 3

Activity (Go SEA)

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