UCSF

ZINC20263914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 2.94 7.55 -56.27 0 8 -1 91 497.543 10
Mid Mid (pH 6-8) 2.94 9.9 -68.08 1 8 0 93 498.551 10
Lo Low (pH 4.5-6) 2.94 9.08 -55.32 2 8 1 90 499.559 10

Activity (Go SEA)

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