UCSF

ZINC11785306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 30 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) 3.57 -2.7 -19.15 1 7 0 93 448.566 8
Hi High (pH 8-9.5) 3.57 -2.23 -51.83 0 7 -1 95 447.558 8

Activity (Go SEA)

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