UCSF

ZINC58518098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 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) 1.69 9.11 -103.19 2 5 2 49 258.325 4
Hi High (pH 8-9.5) 1.69 6.01 -13.46 0 5 0 47 256.309 4
Mid Mid (pH 6-8) 1.69 8.34 -40.97 1 5 1 48 257.317 4
Mid Mid (pH 6-8) 1.69 6.74 -33.07 1 5 1 48 257.317 4

Activity (Go SEA)

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