UCSF

ZINC15935498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 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) 3.59 9.62 -8.12 2 6 0 74 407.514 9
Mid Mid (pH 6-8) 3.59 11.53 -35.32 3 6 1 76 408.522 10
Lo Low (pH 4.5-6) 3.59 10.41 -37.71 3 6 1 76 408.522 9

Activity (Go SEA)

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