UCSF

ZINC42912994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 3.05 7.21 -116.79 4 2 2 32 254.393 7
Mid Mid (pH 6-8) 3.05 7.01 -34.76 3 2 1 30 253.385 7
Mid Mid (pH 6-8) 3.05 5.18 -44.58 3 2 1 31 253.385 7

Activity (Go SEA)

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