UCSF

ZINC37800852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.24 4.27 -51.08 3 4 1 51 308.471 3
Mid Mid (pH 6-8) 2.24 4.7 -8.13 2 4 0 50 307.463 3
Lo Low (pH 4.5-6) 2.24 6.48 -121.4 4 4 2 52 309.479 3

Activity (Go SEA)

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