UCSF

ZINC36353205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.13 7.78 -13.25 1 7 0 78 407.47 6
Ref Reference (pH 7) 2.95 10.44 -13.46 1 7 0 75 407.47 6
Mid Mid (pH 6-8) 2.95 10.9 -48.39 2 7 1 76 408.478 6

Activity (Go SEA)

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