UCSF

ZINC70655318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 16 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) 1.65 3.11 -9.33 2 3 0 41 242.388 2
Mid Mid (pH 6-8) 1.65 4.33 -39.71 3 3 1 46 243.396 2

Activity (Go SEA)

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