UCSF

ZINC19855401

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) 3.94 9.83 -24.75 1 6 0 59 392.503 7
Mid Mid (pH 6-8) 3.94 12.09 -62.03 2 6 1 61 393.511 7
Mid Mid (pH 6-8) 3.94 10.24 -35.81 2 6 1 61 393.511 7
Lo Low (pH 4.5-6) 3.94 12.5 -114.41 3 6 2 62 394.519 7

Activity (Go SEA)

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