UCSF

ZINC36999914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.84 9.23 -32.03 2 2 1 16 326.302 5
Mid Mid (pH 6-8) 3.84 7.88 -39.47 2 2 1 20 326.302 5
Lo Low (pH 4.5-6) 3.84 10.11 -102.88 3 2 2 21 327.31 5

Activity (Go SEA)

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