UCSF

ZINC36897621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 3.93 8.41 -6.7 0 2 0 18 257.164 3
Lo Low (pH 4.5-6) 3.93 8.69 -27.89 1 2 1 19 258.172 3

Activity (Go SEA)

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