UCSF

ZINC42946383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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
Hi High (pH 8-9.5) 2.61 9.26 -98.72 4 3 2 35 311.901 5
Mid Mid (pH 6-8) 2.61 7.97 -91.86 4 3 2 35 311.901 5
Lo Low (pH 4.5-6) 2.61 9.58 -203.41 5 3 3 37 312.909 5

Activity (Go SEA)

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