UCSF

ZINC45302742

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 26 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) 3.44 7.16 -43.21 2 6 1 63 441.371 5
Hi High (pH 8-9.5) 3.44 4.84 -46.97 0 6 -1 64 439.355 5
Mid Mid (pH 6-8) 3.44 7.18 -61.75 1 6 0 65 440.363 5
Mid Mid (pH 6-8) 3.44 4.81 -9.49 1 6 0 62 440.363 5

Activity (Go SEA)

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