UCSF

ZINC36353640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 3.26 7.28 -9.25 1 4 0 50 347.802 2
Ref Reference (pH 7) 3.08 9.96 -10.32 1 4 0 47 347.802 2
Mid Mid (pH 6-8) 3.08 10.42 -47.94 2 4 1 48 348.81 2

Activity (Go SEA)

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