UCSF

ZINC31945371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.18 5.82 -39.26 3 4 1 47 313.45 4
Mid Mid (pH 6-8) 2.18 7.3 -37.12 3 4 1 47 313.45 4
Mid Mid (pH 6-8) 2.18 5.54 -16.09 2 4 0 45 312.442 4
Lo Low (pH 4.5-6) 2.18 7.58 -94.47 4 4 2 48 314.458 4

Activity (Go SEA)

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