UCSF

ZINC36876914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.66 6.31 -53.39 4 3 1 56 309.231 4
Hi High (pH 8-9.5) 1.66 5.99 -6.61 3 3 0 55 308.223 4
Lo Low (pH 4.5-6) 1.66 6.62 -125.36 5 3 2 58 310.239 4

Activity (Go SEA)

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