UCSF

ZINC23371262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.25 1.98 -36.73 2 7 -1 114 368.753 3
Mid Mid (pH 6-8) 1.25 1.91 -19.99 3 7 0 112 369.761 3

Activity (Go SEA)

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