UCSF

ZINC37273625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 1.47 3.71 -40.8 3 5 1 58 307.443 6
Hi High (pH 8-9.5) 1.47 2.72 -4.9 2 5 0 53 306.435 6
Lo Low (pH 4.5-6) 1.47 5.65 -112.96 4 5 2 59 308.451 6

Activity (Go SEA)

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