UCSF

ZINC70114317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 17 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) 3.49 8.19 -38.4 0 3 -1 31 252.407 3
Mid Mid (pH 6-8) 2.76 8.35 -6.72 1 3 0 34 253.415 3

Activity (Go SEA)

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