UCSF

ZINC32240768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 2.14 8.93 -54.9 2 6 1 61 375.88 3
Hi High (pH 8-9.5) 2.14 6.73 -16.47 1 6 0 60 374.872 3

Activity (Go SEA)

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