UCSF

ZINC36984036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 0.30 4.69 -17.15 0 4 0 41 252.236 4
Lo Low (pH 4.5-6) 0.30 6.76 -55.83 1 4 1 42 253.244 4

Activity (Go SEA)

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