UCSF

ZINC34678226

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 Yes

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) 1.92 4.39 -45.42 2 7 1 72 385.488 8
Mid Mid (pH 6-8) 1.92 4.44 -46.1 2 7 1 72 385.488 8
Mid Mid (pH 6-8) 1.92 2.14 -8.69 1 7 0 71 384.48 8

Activity (Go SEA)

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