UCSF

ZINC08036055

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

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 2.91 -354.54 1 14 -4 210 421.199 7
Mid Mid (pH 6-8) -1.85 1.75 -224.74 2 14 -3 207 422.207 7
Mid Mid (pH 6-8) -1.85 1.76 -220.27 2 14 -3 207 422.207 7
Lo Low (pH 4.5-6) -1.85 0.6 -109.87 3 14 -2 204 423.215 7

Activity (Go SEA)

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