UCSF

ZINC34556674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 3.02 9.18 -63.69 2 6 1 69 408.551 5
Hi High (pH 8-9.5) 3.02 7.82 -14.35 1 6 0 64 407.543 5
Mid Mid (pH 6-8) 3.02 10.11 -101.69 3 6 2 71 409.559 5

Activity (Go SEA)

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