UCSF

ZINC00187627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

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) 1.44 3.01 -12.11 2 5 0 71 283.397 3
Mid Mid (pH 6-8) 1.44 3.32 -11.68 2 5 0 71 283.397 3
Lo Low (pH 4.5-6) 1.44 4.1 -34.31 3 5 1 72 284.405 3

Activity (Go SEA)

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