UCSF

ZINC45689712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.13 4.16 -37.91 3 3 1 40 237.367 7
Mid Mid (pH 6-8) 2.13 4.66 -36.25 3 3 1 37 237.367 7
Lo Low (pH 4.5-6) 2.13 5.91 -116.99 4 3 2 41 238.375 7

Activity (Go SEA)

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