UCSF

ZINC45350519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 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) 1.54 10.2 -104.12 3 7 0 102 415.465 5
Mid Mid (pH 6-8) -1.21 8.25 -90.24 4 7 1 105 416.473 4

Activity (Go SEA)

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