UCSF

ZINC04663974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 30 No

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) 6.85 1.96 -7.21 0 4 0 55 407.554 5
Mid Mid (pH 6-8) 7.03 2.21 -15.99 0 4 0 55 407.554 5
Mid Mid (pH 6-8) 7.03 0.96 -8.6 0 4 0 55 407.554 5

Activity (Go SEA)

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