UCSF

ZINC36203742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 3.58 10.02 -49.67 2 4 1 50 328.461 4
Hi High (pH 8-9.5) 4.04 7.59 -43.97 1 4 0 53 327.453 4

Activity (Go SEA)

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