UCSF

ZINC42435540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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 -31.2 2 2 1 16 270.194 3
Lo Low (pH 4.5-6) 2.41 7.29 -105.09 3 2 2 21 271.202 3

Activity (Go SEA)

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