UCSF

ZINC37800947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.63 -2.33 -51.25 4 6 1 80 229.304 3
Hi High (pH 8-9.5) -1.63 -2.67 -15.68 3 6 0 79 228.296 3
Mid Mid (pH 6-8) -1.63 -0.18 -105.97 5 6 2 81 230.312 3

Activity (Go SEA)

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