UCSF

ZINC32245102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.17 5.79 -38.15 2 6 1 73 308.402 8
Hi High (pH 8-9.5) 1.17 3.74 -7.33 1 6 0 72 307.394 8

Activity (Go SEA)

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