UCSF

ZINC19855402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 Yes

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) 3.97 9.79 -25.35 1 6 0 59 392.503 7
Mid Mid (pH 6-8) 3.97 12.05 -62.55 2 6 1 61 393.511 7
Mid Mid (pH 6-8) 3.97 10.2 -36.21 2 6 1 61 393.511 7
Lo Low (pH 4.5-6) 3.97 12.46 -114.71 3 6 2 62 394.519 7

Activity (Go SEA)

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