UCSF

ZINC15372432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 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) 3.41 7.89 -55.88 3 6 1 80 430.575 8
Hi High (pH 8-9.5) 3.41 7.94 -73.7 2 6 0 82 429.567 8
Hi High (pH 8-9.5) 3.41 5.67 -54.9 1 6 -1 81 428.559 8

Activity (Go SEA)

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