UCSF

ZINC36706036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 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) 4.60 7.84 -10.88 0 7 0 64 520.449 8
Lo Low (pH 4.5-6) 4.60 10.11 -48.96 1 7 1 65 521.457 8

Activity (Go SEA)

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