UCSF

ZINC44888568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -0.83 -1.04 -45.62 2 9 -1 128 262.253 3
Mid Mid (pH 6-8) -0.38 -3.4 -96.06 1 9 -2 131 261.245 3
Lo Low (pH 4.5-6) -0.83 -1.04 -11.18 3 9 0 129 263.261 3

Activity (Go SEA)

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