UCSF

ZINC34585296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 3.40 12.19 -58.68 1 6 1 64 421.517 7
Mid Mid (pH 6-8) 3.40 9.94 -17.26 0 6 0 63 420.509 7

Activity (Go SEA)

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