UCSF

ZINC34994397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 No

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) 2.18 5.57 -53.95 2 5 1 72 290.137 6
Mid Mid (pH 6-8) 2.18 4.22 -7.76 1 5 0 67 289.129 6

Activity (Go SEA)

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