UCSF

ZINC19939256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 1.57 3.47 -17.85 3 8 0 98 380.452 6
Mid Mid (pH 6-8) 1.57 3.86 -29.87 4 8 1 100 381.46 6
Lo Low (pH 4.5-6) 1.57 6.13 -93.3 5 8 2 101 382.468 6

Activity (Go SEA)

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