UCSF

ZINC32759874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 26 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) 1.51 -0.34 -38.17 4 8 0 135 397.478 5
Hi High (pH 8-9.5) 1.51 -0.28 -69.64 3 8 -1 138 396.47 5

Activity (Go SEA)

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