UCSF

ZINC33820495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 34 No

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) 1.81 10.65 -95.63 5 8 -1 157 495.662 20
Mid Mid (pH 6-8) 1.81 10.3 -93.3 4 8 -2 156 494.654 20
Lo Low (pH 4.5-6) 1.81 8.78 -61.25 6 8 0 154 496.67 20

Activity (Go SEA)

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