UCSF

ZINC36877038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.52 6.22 -43.81 4 3 1 56 258.389 3
Hi High (pH 8-9.5) 1.52 6.03 -6.51 3 3 0 55 257.381 3
Lo Low (pH 4.5-6) 1.52 7.16 -113.64 5 3 2 58 259.397 3

Activity (Go SEA)

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