UCSF

ZINC37051666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.40 7.67 -7.83 1 3 0 30 255.365 2
Lo Low (pH 4.5-6) 3.40 8.07 -31.81 2 3 1 31 256.373 2

Activity (Go SEA)

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