UCSF

ZINC37003591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.16 4.55 -70.18 2 6 0 91 330.431 5
Hi High (pH 8-9.5) 1.16 4.3 -87.01 1 6 -1 93 329.423 5
Hi High (pH 8-9.5) 1.16 2.04 -46.23 1 6 -1 90 329.423 5

Activity (Go SEA)

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