UCSF

ZINC19473145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) -0.68 4.04 -41.57 3 4 1 51 262.377 4
Hi High (pH 8-9.5) -0.68 3.74 -5.17 2 4 0 50 261.369 4
Mid Mid (pH 6-8) -0.68 6.3 -98.15 4 4 2 52 263.385 4

Activity (Go SEA)

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