UCSF

ZINC21001519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.55 7.12 -22.04 2 7 0 101 416.528 7
Hi High (pH 8-9.5) 3.62 6.22 -51.21 1 7 -1 107 415.52 7
Hi High (pH 8-9.5) 3.62 6.29 -99.17 0 7 -2 109 414.512 7
Mid Mid (pH 6-8) 3.55 7.19 -48.09 1 7 -1 103 415.52 7

Activity (Go SEA)

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