UCSF

ZINC19536760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 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) 5.06 9.2 -34.12 2 3 1 28 333.54 5
Mid Mid (pH 6-8) 5.06 6.92 -2.48 1 3 0 27 332.532 5
Mid Mid (pH 6-8) 5.06 9.19 -36.65 2 3 1 28 333.54 5

Activity (Go SEA)

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