UCSF

ZINC45663076

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.76 4.54 -42.93 4 5 1 63 293.435 9
Mid Mid (pH 6-8) 1.76 4.88 -37.86 4 5 1 63 293.435 9
Mid Mid (pH 6-8) 1.76 7.02 -113.27 5 5 2 64 294.443 9

Activity (Go SEA)

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