UCSF

ZINC51783005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 12 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) 1.65 2.63 -36.68 2 2 1 20 169.292 2
Hi High (pH 8-9.5) 1.65 1.62 -1.13 1 2 0 15 168.284 2
Mid Mid (pH 6-8) 1.65 3.71 -30.48 2 2 1 16 169.292 2
Lo Low (pH 4.5-6) 1.65 5.13 -104.39 3 2 2 21 170.3 2

Activity (Go SEA)

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