UCSF

ZINC09192364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 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) 3.22 6.18 -13.91 1 5 0 72 283.331 4
Hi High (pH 8-9.5) 2.95 6.17 -53.71 1 5 -1 73 282.323 3
Mid Mid (pH 6-8) 3.66 6.66 -25.06 2 5 1 73 284.339 3
Mid Mid (pH 6-8) 3.66 7.66 -102.7 3 5 2 74 285.347 3

Activity (Go SEA)

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