UCSF

ZINC36095327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 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) 4.71 10.28 -47.51 2 5 1 52 422.545 11
Hi High (pH 8-9.5) 4.71 7.89 -10.76 1 5 0 51 421.537 11

Activity (Go SEA)

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