UCSF

ZINC36988485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.27 7.59 -36.92 3 3 1 34 282.411 3
Mid Mid (pH 6-8) 2.27 5.2 -3.29 2 3 0 32 281.403 3
Lo Low (pH 4.5-6) 2.27 9.5 -114.88 4 3 2 35 283.419 3

Activity (Go SEA)

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