UCSF

ZINC41309349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 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) 0.72 5.25 -55.25 3 7 1 75 377.509 9
Mid Mid (pH 6-8) 0.72 4.29 -49.72 3 7 1 75 377.509 9
Mid Mid (pH 6-8) 0.72 2.95 -17.45 2 7 0 74 376.501 9

Activity (Go SEA)

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