UCSF

ZINC00796019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 3.15 9.1 -62.88 1 7 -1 103 432.452 8
Lo Low (pH 4.5-6) 3.15 8.21 -17.04 2 7 0 100 433.46 8

Activity (Go SEA)

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