UCSF

ZINC44827410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 31 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) 4.58 10.55 -16.84 1 8 0 133 496.298 4
Mid Mid (pH 6-8) 4.58 11.58 -45.8 0 8 -1 136 495.29 4

Activity (Go SEA)

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