UCSF

ZINC01078622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 17 Yes

CAS Numbers: 1454-65-5 , 320-67-2 , 931-86-2

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) -2.34 -4.66 -53.74 6 9 1 145 245.215 2
Mid Mid (pH 6-8) -2.34 -5.15 -21.04 5 9 0 144 244.207 2

Activity (Go SEA)

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