UCSF

ZINC34668139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.01 10.11 -50.29 2 6 1 63 405.522 6
Mid Mid (pH 6-8) 3.01 7.88 -10.19 1 6 0 62 404.514 6
Lo Low (pH 4.5-6) 3.01 10.58 -98.33 3 6 2 64 406.53 6

Activity (Go SEA)

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