UCSF

ZINC37140887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.72 2.05 -34.57 4 4 1 57 263.361 4
Hi High (pH 8-9.5) 1.72 1.89 -34.29 3 4 0 63 262.353 4
Lo Low (pH 4.5-6) 1.72 3.26 -107.54 5 4 2 61 264.369 4

Activity (Go SEA)

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