UCSF

ZINC37856239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.74 -6.13 -44.12 3 8 -1 142 348.407 4
Mid Mid (pH 6-8) 0.74 -6.08 -99.19 2 8 -2 144 347.399 4
Mid Mid (pH 6-8) 0.28 -4.09 -18.46 4 8 0 139 349.415 4
Mid Mid (pH 6-8) 0.28 -3.96 -42.06 3 8 -1 141 348.407 4

Activity (Go SEA)

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