UCSF

ZINC34613208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 1.07 12.37 -66.32 0 5 -1 65 361.368 3
Mid Mid (pH 6-8) 1.07 10.37 -14.47 1 5 0 63 362.376 3
Lo Low (pH 4.5-6) -1.68 9.42 -30.23 1 5 0 68 362.376 2

Activity (Go SEA)

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