UCSF

ZINC45690090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.40 4.43 -47.13 4 5 1 72 294.419 10
Mid Mid (pH 6-8) 1.40 4.92 -43.15 4 5 1 69 294.419 10
Lo Low (pH 4.5-6) 1.40 6.17 -125.62 5 5 2 73 295.427 10

Activity (Go SEA)

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