UCSF

ZINC42899457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.04 3.03 -121.2 5 3 2 52 238.375 7
Mid Mid (pH 6-8) 1.04 1.47 -49.99 4 3 1 51 237.367 7
Mid Mid (pH 6-8) 1.04 3.24 -29.93 4 3 1 51 237.367 7

Activity (Go SEA)

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