UCSF

ZINC34994788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.71 8.1 -37.5 3 2 1 29 293.519 2
Hi High (pH 8-9.5) 4.71 7.91 -31.35 3 2 1 29 293.519 2
Mid Mid (pH 6-8) 4.71 8.9 -103.47 4 2 2 33 294.527 2

Activity (Go SEA)

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