UCSF

ZINC45661249

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.58 4.32 -56.25 3 5 1 66 265.381 2
Mid Mid (pH 6-8) 1.58 4.53 -107.38 4 5 2 67 266.389 2
Mid Mid (pH 6-8) 1.58 4.11 -24.53 3 5 1 66 265.381 2
Mid Mid (pH 6-8) 1.58 3.93 -8.14 2 5 0 64 264.373 2

Activity (Go SEA)

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