UCSF

ZINC44888138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 1.86 4.09 -36.24 2 6 0 79 261.329 6
Hi High (pH 8-9.5) 1.86 3.06 -38.55 1 6 -1 74 260.321 6
Lo Low (pH 4.5-6) 1.86 4.32 -49.4 3 6 1 80 262.337 6

Activity (Go SEA)

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