UCSF

ZINC34678114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 No

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) 2.81 7.29 -50.18 2 9 1 109 428.513 7
Mid Mid (pH 6-8) 2.81 4.99 -13.12 1 9 0 107 427.505 7
Mid Mid (pH 6-8) 2.81 6.93 -44.77 2 9 1 109 428.513 7

Activity (Go SEA)

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