UCSF

ZINC45753632

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 0.37 1.76 -35.28 3 4 1 51 212.317 3
Mid Mid (pH 6-8) 0.37 1.47 -37.11 3 4 1 51 212.317 3
Mid Mid (pH 6-8) 0.37 -0.74 -7.7 2 4 0 50 211.309 3

Activity (Go SEA)

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