UCSF

ZINC36833972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.51 11.28 -54 2 6 1 64 420.509 8
Hi High (pH 8-9.5) 3.58 9.84 -69.26 1 6 0 71 419.501 8

Activity (Go SEA)

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