UCSF

ZINC32797211

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 28 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) 2.79 5.11 -36.76 3 6 1 67 390.548 8
Hi High (pH 8-9.5) 2.79 4.01 -8.61 2 6 0 63 389.54 8
Lo Low (pH 4.5-6) 2.79 7.32 -108.21 4 6 2 69 391.556 8
Lo Low (pH 4.5-6) 2.79 5.95 -33.4 3 6 1 64 390.548 8

Activity (Go SEA)

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