UCSF

ZINC35784280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 2.15 2.18 -1.18 2 3 0 38 240.391 1
Lo Low (pH 4.5-6) 2.15 4.36 -30.34 3 3 1 40 241.399 1
Lo Low (pH 4.5-6) 2.15 4.61 -119.66 4 3 2 41 242.407 1

Activity (Go SEA)

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