UCSF

ZINC37280079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.64 5.28 -29.64 3 5 1 60 275.376 6
Hi High (pH 8-9.5) 1.64 4.83 -15.21 2 5 0 58 274.368 6
Lo Low (pH 4.5-6) 1.64 6.53 -97.71 4 5 2 64 276.384 6

Activity (Go SEA)

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