UCSF

ZINC44784616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 18 No

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) 0.61 -0.03 -9.94 3 6 0 82 256.35 4
Mid Mid (pH 6-8) 0.61 2.21 -50.54 4 6 1 83 257.358 4

Activity (Go SEA)

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