UCSF

ZINC31903206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 3.10 4.39 -55.3 3 8 -1 129 456.554 6
Mid Mid (pH 6-8) 4.03 4.95 -22.1 4 8 0 130 457.562 5

Activity (Go SEA)

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