UCSF

ZINC35767403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 37 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) 3.02 12.26 -17.27 0 7 0 66 507.606 11
Mid Mid (pH 6-8) 3.02 14.53 -53.18 1 7 1 67 508.614 11

Activity (Go SEA)

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