UCSF

ZINC00897115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 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) 4.75 -8.01 -15.53 2 8 0 114 486.619 8
Hi High (pH 8-9.5) 4.75 -7.43 -44.49 1 8 -1 116 485.611 8

Activity (Go SEA)

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