UCSF

ZINC00493552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 4.90 5.49 -6.62 1 3 0 42 310.18 4
Mid Mid (pH 6-8) 4.90 6.27 -33.36 0 3 -1 45 309.172 4
Mid Mid (pH 6-8) 4.90 7.48 -39.49 0 3 -1 45 309.172 4
Lo Low (pH 4.5-6) 4.90 7.21 -36.02 2 3 1 43 311.188 4
Lo Low (pH 4.5-6) 4.90 5.93 -39.23 2 3 1 43 311.188 4

Activity (Go SEA)

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