UCSF

ZINC12531960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 35 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) 3.48 7.47 -58.35 0 8 -1 95 495.939 7
Mid Mid (pH 6-8) 3.48 9.73 -66.52 1 8 0 96 496.947 7
Lo Low (pH 4.5-6) 3.48 8.99 -47.48 2 8 1 94 497.955 7

Activity (Go SEA)

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