UCSF

ZINC37856244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.06 -1.86 -43.43 1 6 -1 91 299.353 4
Hi High (pH 8-9.5) 2.06 -1.71 -104.64 0 6 -2 93 298.345 4
Mid Mid (pH 6-8) 1.60 0.41 -43.66 1 6 -1 90 299.353 4
Mid Mid (pH 6-8) 1.60 0.4 -11.19 2 6 0 88 300.361 4

Activity (Go SEA)

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