UCSF

ZINC34678127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 3.15 6.13 -50.82 2 6 1 63 419.496 6
Mid Mid (pH 6-8) 3.15 3.86 -10.21 1 6 0 62 418.488 6
Mid Mid (pH 6-8) 3.15 6.11 -53.58 2 6 1 63 419.496 6

Activity (Go SEA)

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