UCSF

ZINC23358301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 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) 3.24 9.31 -121.18 2 7 2 60 417.598 10
Hi High (pH 8-9.5) 3.24 7.52 -34.06 1 7 1 59 416.59 10
Mid Mid (pH 6-8) 3.24 9.4 -82.63 2 7 2 60 417.598 10
Lo Low (pH 4.5-6) 3.24 11.63 -199.74 3 7 3 61 418.606 10

Activity (Go SEA)

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