UCSF

ZINC49592426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 33 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) 3.41 10.49 -10.38 1 6 0 58 447.579 10
Mid Mid (pH 6-8) 3.41 11.4 -40.74 2 6 1 63 448.587 10
Lo Low (pH 4.5-6) 3.41 12.23 -40.05 2 6 1 59 448.587 10
Lo Low (pH 4.5-6) 3.41 13.27 -127.11 3 6 2 64 449.595 10

Activity (Go SEA)

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