UCSF

ZINC70513168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.73 6.08 -109.72 5 3 2 52 292.467 6
Hi High (pH 8-9.5) 2.73 5.71 -38.17 4 3 1 51 291.459 6
Mid Mid (pH 6-8) 2.73 3.87 -38.68 4 3 1 51 291.459 6

Activity (Go SEA)

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