UCSF

ZINC06349594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 24 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) 3.77 12.84 -10.86 1 6 0 69 326.4 5
Ref Reference (pH 7) 3.95 12.77 -17.47 1 6 0 72 326.4 5
Mid Mid (pH 6-8) 3.95 13.13 -14.19 1 6 0 72 326.4 5
Mid Mid (pH 6-8) 3.95 12.62 -37.54 0 6 -1 71 325.392 5
Lo Low (pH 4.5-6) 3.95 13.28 -51.06 2 6 1 74 327.408 5

Activity (Go SEA)

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