UCSF

ZINC03870239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 16 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) -2.24 -2.54 -215.98 2 8 -3 153 251.107 3
Mid Mid (pH 6-8) -2.24 -3.74 -113.62 3 8 -2 150 252.115 3
Lo Low (pH 4.5-6) -2.24 -5.72 -59.62 4 8 -1 147 253.123 3

Activity (Go SEA)

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