UCSF

ZINC20677317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 32 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) 3.51 9.3 -54.04 1 6 1 56 439.507 5
Hi High (pH 8-9.5) 3.51 6.33 -9.33 0 6 0 55 438.499 5
Mid Mid (pH 6-8) 3.51 8.81 -46.85 1 6 1 56 439.507 5
Lo Low (pH 4.5-6) 3.51 11.68 -126.56 2 6 2 58 440.515 5

Activity (Go SEA)

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