UCSF

ZINC44118632

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.93 2.76 -6.82 1 4 0 46 261.321 3
Mid Mid (pH 6-8) 1.93 5.06 -40.35 2 4 1 47 262.329 3

Activity (Go SEA)

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