UCSF

ZINC35433642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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 5.49 -12.21 1 4 0 41 219.288 4
Mid Mid (pH 6-8) 1.86 5.5 -87.06 3 4 2 43 221.304 4
Lo Low (pH 4.5-6) 1.86 6.17 -24.13 2 4 1 42 220.296 4

Activity (Go SEA)

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