UCSF

ZINC39917596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.23 11.57 -10.25 0 4 0 30 391.559 7
Mid Mid (pH 6-8) 5.23 13.83 -48.56 1 4 1 31 392.567 7
Lo Low (pH 4.5-6) 5.23 14.09 -103.01 2 4 2 33 393.575 7

Activity (Go SEA)

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