UCSF

ZINC34939575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.82 5.07 -6.6 3 3 0 51 267.254 4
Mid Mid (pH 6-8) 2.82 5.53 -31.23 4 3 1 52 268.262 4

Activity (Go SEA)

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