UCSF

ZINC21815470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.92 4.22 -9.61 2 4 0 62 242.278 3
Hi High (pH 8-9.5) 1.92 5.07 -53.89 1 4 -1 65 241.27 3
Lo Low (pH 4.5-6) 1.92 4.65 -46.21 3 4 1 63 243.286 3

Activity (Go SEA)

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