UCSF

ZINC33795587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 24 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) 3.52 10.33 -120.41 0 5 -2 93 387.185 4
Mid Mid (pH 6-8) 3.52 9.73 -63.97 1 5 -1 91 388.193 4
Lo Low (pH 4.5-6) 3.52 7.74 -23.27 2 5 0 88 389.201 4

Activity (Go SEA)

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