UCSF

ZINC20767288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 31 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) 3.25 5.81 -50.82 3 8 1 84 447.943 8
Hi High (pH 8-9.5) 3.25 5.81 -50.52 3 8 1 84 447.943 8
Hi High (pH 8-9.5) 3.25 3.58 -19.83 2 8 0 83 446.935 8
Lo Low (pH 4.5-6) 3.25 8.08 -130.59 4 8 2 86 448.951 8

Activity (Go SEA)

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