UCSF

ZINC21715339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 4.43 9.88 -77.53 2 6 0 73 444.457 7
Hi High (pH 8-9.5) 4.43 7.5 -54.14 1 6 -1 72 443.449 7
Mid Mid (pH 6-8) 4.43 7.95 -55.07 2 6 0 73 444.457 7
Mid Mid (pH 6-8) 4.43 10.33 -109.88 3 6 1 74 445.465 7

Activity (Go SEA)

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