UCSF

ZINC00326670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 5.23 9.44 -9.57 1 2 0 29 281.399 2
Mid Mid (pH 6-8) 5.30 6.88 -4.55 1 2 0 33 281.399 2

Activity (Go SEA)

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