UCSF

ZINC00751767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 5.96 0.4 -54.81 1 5 -1 82 453.312 3
Lo Low (pH 4.5-6) 4.08 0.53 -54.81 2 5 0 81 454.32 2

Activity (Go SEA)

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