UCSF

ZINC46065265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.96 6.53 -48.34 3 5 1 63 312.478 8
Mid Mid (pH 6-8) 2.96 4.35 -14.72 2 5 0 61 311.47 8

Activity (Go SEA)

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