UCSF

ZINC23411542

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 26 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) 3.78 8.16 -17.76 1 5 0 50 354.498 5
Mid Mid (pH 6-8) 3.78 10.47 -60.21 2 5 1 51 355.506 5
Mid Mid (pH 6-8) 3.78 8.57 -34.9 2 5 1 51 355.506 5
Lo Low (pH 4.5-6) 3.78 10.88 -118.67 3 5 2 53 356.514 5

Activity (Go SEA)

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