UCSF

ZINC32216509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) 3.33 4.64 -55.17 4 4 1 66 312.176 4
Hi High (pH 8-9.5) 3.33 4.26 -11.81 3 4 0 64 311.168 4

Activity (Go SEA)

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