UCSF

ZINC00731359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 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) 4.74 5.89 -24.89 3 6 0 91 362.385 6
Hi High (pH 8-9.5) 4.74 6.91 -65.87 2 6 -1 94 361.377 6

Activity (Go SEA)

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