UCSF

ZINC37038176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -1.00 -1.12 -47.73 4 6 1 72 287.428 8
Lo Low (pH 4.5-6) -1.00 0.71 -109.93 5 6 2 74 288.436 8

Activity (Go SEA)

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