UCSF

ZINC34678015

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 4.77 9.48 -44.62 2 6 1 63 501.573 9
Mid Mid (pH 6-8) 4.77 9.53 -45.54 2 6 1 63 501.573 9
Mid Mid (pH 6-8) 4.77 7.23 -8.46 1 6 0 62 500.565 9

Activity (Go SEA)

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