UCSF

ZINC35875608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 23 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) 3.08 9.44 -38.66 1 3 1 21 308.449 2
Mid Mid (pH 6-8) 3.08 8.8 -38.33 1 3 1 21 308.449 2
Mid Mid (pH 6-8) 3.08 7.08 -4.59 0 3 0 19 307.441 2
Lo Low (pH 4.5-6) 3.08 9.89 -82.47 2 3 2 22 309.457 2

Activity (Go SEA)

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