UCSF

ZINC20219562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.29 5.38 -56.37 0 8 -1 95 436.488 8
Mid Mid (pH 6-8) 1.29 7.71 -75.6 1 8 0 96 437.496 8
Lo Low (pH 4.5-6) 1.29 6.89 -57.16 2 8 1 93 438.504 8

Activity (Go SEA)

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