UCSF

ZINC03995746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 27 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) -1.85 2.87 -343.83 1 14 -4 210 421.199 7
Mid Mid (pH 6-8) -1.85 1.72 -216.19 2 14 -3 207 422.207 7
Mid Mid (pH 6-8) -1.85 1.73 -217.03 2 14 -3 207 422.207 7
Lo Low (pH 4.5-6) -1.85 0.57 -106.94 3 14 -2 204 423.215 7

Activity (Go SEA)

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