UCSF

ZINC37249917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 Yes

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) 0.49 3.91 -105.41 4 4 2 50 213.325 4
Hi High (pH 8-9.5) 0.49 2.74 -39.67 3 4 1 46 212.317 4
Mid Mid (pH 6-8) 0.49 1.53 -41.05 3 4 1 49 212.317 4

Activity (Go SEA)

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