UCSF

ZINC45703749

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) 1.50 3.74 -27.8 2 3 1 28 215.361 6
Mid Mid (pH 6-8) 1.50 6.21 -96.44 3 3 2 29 216.369 6

Activity (Go SEA)

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