UCSF

ZINC05159763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 24 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) 2.53 6.7 -51.74 1 5 -1 91 323.324 4
Hi High (pH 8-9.5) 2.79 6.86 -103.48 0 5 -2 93 322.316 4
Mid Mid (pH 6-8) 2.79 5.81 -54.05 1 5 -1 91 323.324 4
Mid Mid (pH 6-8) 2.53 5.66 -11.64 2 5 0 88 324.332 4
Lo Low (pH 4.5-6) 2.53 6.46 -24.28 2 5 0 88 324.332 4

Activity (Go SEA)

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