UCSF

ZINC22786915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 0.93 5.79 -51.41 3 7 1 87 361.466 7
Hi High (pH 8-9.5) 0.93 3.57 -21.75 2 7 0 86 360.458 7
Lo Low (pH 4.5-6) 0.93 5.81 -54.33 3 7 1 87 361.466 7

Activity (Go SEA)

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