UCSF

ZINC13127326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 31 No

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 8.48 -71.26 2 9 0 120 429.473 8
Hi High (pH 8-9.5) 1.40 6.01 -59.61 1 9 -1 119 428.465 8
Lo Low (pH 4.5-6) 1.49 7.16 -51.36 2 9 1 114 430.481 8

Activity (Go SEA)

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