UCSF

ZINC44685028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 3.48 7.88 -30.17 2 2 1 16 225.4 7
Lo Low (pH 4.5-6) 3.48 8.81 -107.2 3 2 2 21 226.408 7
Lo Low (pH 4.5-6) 3.48 6.03 -34.3 2 2 1 20 225.4 7

Activity (Go SEA)

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