UCSF

ZINC42462265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.09 6.94 -57.83 1 5 0 65 254.33 3
Mid Mid (pH 6-8) 1.09 4.88 -55.61 0 5 -1 64 253.322 3
Lo Low (pH 4.5-6) 1.09 5.01 -46.32 2 5 1 62 255.338 3

Activity (Go SEA)

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