UCSF

ZINC32777624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 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) 4.01 8.83 -36.87 2 3 1 34 307.845 4
Hi High (pH 8-9.5) 4.01 6.46 -7.72 1 3 0 32 306.837 4

Activity (Go SEA)

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