UCSF

ZINC37221480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.20 9.48 -77.52 3 3 2 21 297.531 6
Mid Mid (pH 6-8) 3.20 8.36 -96.74 3 3 2 24 297.531 6
Lo Low (pH 4.5-6) 3.20 10.56 -174.08 4 3 3 25 298.539 6

Activity (Go SEA)

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