UCSF

ZINC59688163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 27 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) 4.50 12.67 -39.77 2 4 0 60 362.473 4
Hi High (pH 8-9.5) 4.50 10.45 -49.16 1 4 -1 59 361.465 4

Activity (Go SEA)

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