UCSF

ZINC35045601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.16 5.96 -40.03 2 5 1 56 267.349 5
Mid Mid (pH 6-8) 1.16 4.76 -46 2 5 1 59 267.349 5
Lo Low (pH 4.5-6) 1.16 7.15 -113.1 3 5 2 60 268.357 5

Activity (Go SEA)

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