UCSF

ZINC01514780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 29 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) 2.75 -5.14 -21.95 2 9 0 119 414.443 7
Hi High (pH 8-9.5) 2.75 -4.65 -56.57 1 9 -1 121 413.435 7

Activity (Go SEA)

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