UCSF

ZINC36378426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 16 Yes

CAS Numbers: 141294-79-3 , 59277-89-3 , 88713-38-6

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) -1.26 -4.25 -46.88 2 8 -1 111 224.2 4
Lo Low (pH 4.5-6) -1.26 -4.26 -18.51 3 8 0 114 225.208 4

Activity (Go SEA)

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