UCSF

ZINC34963622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.13 5.75 -48 3 2 1 31 267.462 5
Hi High (pH 8-9.5) 3.13 5.41 -2.19 2 2 0 29 266.454 5
Lo Low (pH 4.5-6) 3.13 7.29 -119.22 4 2 2 32 268.47 5

Activity (Go SEA)

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