UCSF

ZINC32602739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 30 No

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) -0.97 0.26 -59.16 8 9 1 158 438.574 12
Hi High (pH 8-9.5) -0.97 -0.08 -21.65 7 9 0 156 437.566 12

Activity (Go SEA)

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