UCSF

ZINC19536702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 18 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) 1.28 4.97 -39.71 1 4 1 26 251.35 4
Mid Mid (pH 6-8) 1.28 4.91 -41.16 1 4 1 26 251.35 4
Mid Mid (pH 6-8) 1.28 2.51 -6.13 0 4 0 25 250.342 4

Activity (Go SEA)

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