UCSF

ZINC36998019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.88 6.77 -4.4 2 2 0 32 310.224 5
Hi High (pH 8-9.5) 4.88 7.53 -39.92 1 2 -1 35 309.216 5
Lo Low (pH 4.5-6) 4.88 7.84 -39.97 3 2 1 37 311.232 5

Activity (Go SEA)

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