UCSF

ZINC32520426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 24 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) 1.40 6.4 -31.86 2 6 1 63 326.424 4
Hi High (pH 8-9.5) 1.40 6.12 -16.18 1 6 0 61 325.416 4
Lo Low (pH 4.5-6) 1.40 6.83 -80.75 3 6 2 64 327.432 4

Activity (Go SEA)

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