UCSF

ZINC04497834

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.08 4.35 -54.2 2 8 -1 119 384.441 5
Hi High (pH 8-9.5) 3.26 4.61 -44.31 2 8 -1 118 384.441 4
Mid Mid (pH 6-8) 3.08 4.31 -133.81 1 8 -2 117 383.433 5

Activity (Go SEA)

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