UCSF

ZINC51396944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 1.60 5.15 -41.36 3 3 1 44 206.313 4
Hi High (pH 8-9.5) 1.60 4.74 -4.18 2 3 0 42 205.305 4
Mid Mid (pH 6-8) 1.60 5.12 -23.21 3 3 1 43 206.313 4
Lo Low (pH 4.5-6) 1.60 5.52 -104.71 4 3 2 45 207.321 4

Activity (Go SEA)

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