UCSF

ZINC36352569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 2.16 1.89 -18.2 2 7 0 97 346.412 4
Ref Reference (pH 7) 1.97 4.56 -19.29 2 7 0 93 346.412 4
Mid Mid (pH 6-8) 2.34 0.64 -51.02 1 7 -1 103 345.404 4

Activity (Go SEA)

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