UCSF

ZINC00086493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 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) 4.21 9.03 -36 3 4 1 59 342.422 4
Hi High (pH 8-9.5) 4.21 9.34 -51.34 1 4 -1 61 340.406 4
Mid Mid (pH 6-8) 4.21 8.56 -9.79 2 4 0 58 341.414 4

Activity (Go SEA)

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