UCSF

ZINC71197081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2011 17 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) 2.41 6.94 -32.58 2 2 1 16 237.342 4
Mid Mid (pH 6-8) 2.41 5.86 -36.29 2 2 1 20 237.342 4
Lo Low (pH 4.5-6) 2.41 8.12 -105.94 3 2 2 21 238.35 4

Activity (Go SEA)

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