UCSF

ZINC15011752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 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) 6.25 12.08 -14.86 1 7 0 100 431.473 6
Ref Reference (pH 7) 5.76 11.95 -46.95 0 7 -1 99 430.465 7

Activity (Go SEA)

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