UCSF

ZINC19606640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 15 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) 1.89 6.12 -32.66 1 2 1 8 211.304 5
Hi High (pH 8-9.5) 1.89 3.57 -3.76 0 2 0 6 210.296 5
Mid Mid (pH 6-8) 1.89 6.23 -34.65 1 2 1 8 211.304 5
Lo Low (pH 4.5-6) 1.89 8.4 -104.43 2 2 2 9 212.312 5

Activity (Go SEA)

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