UCSF

ZINC32809764

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 19 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) 0.13 6.13 -40.16 1 6 1 54 262.337 3
Hi High (pH 8-9.5) 0.13 3.88 -14.33 0 6 0 53 261.329 3

Activity (Go SEA)

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