UCSF

ZINC34677719

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) 1.65 4.41 -42.23 2 9 1 81 503.643 9
Mid Mid (pH 6-8) 1.65 6.67 -99.88 3 9 2 82 504.651 9

Activity (Go SEA)

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